2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-propyl-ethanamide

Systemtic Name: 2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-propyl-ethanamide Openeye Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propyl-acetamide CAS Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propylacetamide Traditional Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-propyl-acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CNC(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2S/c1-2-13-22-18(27)14-23-19(28)15-29-21-24-20(16-9-5-3-6-10-16)26(25-21)17-11-7-4-8-12-17/h4,7-8,11-12,16H,2-3,5-6,9-10,13-15H2,1H3,(H,22,27)(H,23,28)